6-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)hexanamide

C17H23N3O3S — CID 78799553

IUPAC6-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)hexanamide
SMILESCCOc1ccc2nc(NC(=O)CCCCCNC(C)=O)sc2c1
InChIInChI=1S/C17H23N3O3S/c1-3-23-13-8-9-14-15(11-13)24-17(19-14)20-16(22)7-5-4-6-10-18-12(2)21/h8-9,11H,3-7,10H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyRUZKRMKXWFQSNY-UHFFFAOYSA-N
MW349.46 g/mol
LogP3.33
Rot. Bonds9

About 6-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)hexanamide

6-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)hexanamide (PubChem CID 78799553) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 6-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)hexanamide.

Molecular Properties

Compound Name6-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)hexanamide
PubChem CID78799553
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name6-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)hexanamide
SMILESCCOc1ccc2nc(NC(=O)CCCCCNC(C)=O)sc2c1
InChIInChI=1S/C17H23N3O3S/c1-3-23-13-8-9-14-15(11-13)24-17(19-14)20-16(22)7-5-4-6-10-18-12(2)21/h8-9,11H,3-7,10H2,1-2H3,(H,18,21)(H,19,20,22)
InChIKeyRUZKRMKXWFQSNY-UHFFFAOYSA-N
XLogP3.33
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide
CID 107907240
methyl 4-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-4-oxobutanoate
CID 108747758
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(propan-2-ylamino)propanamide
CID 60852509
2-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)acetamide
CID 54409195
4-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)pentanamide;hydrochloride
CID 120558679
3-(cyclopropylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 60842453
3-(4-chlorophenoxy)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 108747725
4-(1,3-dioxoisoindol-2-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 2677097
3-(3,5-dimethoxyphenyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 26707945
N-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-3-methoxybenzamide
CID 17226248
3-(2,5-dioxopyrrolidin-1-yl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)propanamide
CID 17404886
3-amino-N-(6-ethoxy-1,3-benzothiazol-2-yl)butanamide
CID 60835509

Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)hexanamide?
The IUPAC name of 6-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)hexanamide (CID 78799553) is 6-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)hexanamide.
What is the SMILES notation for 6-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)hexanamide?
The canonical SMILES for 6-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)hexanamide is CCOc1ccc2nc(NC(=O)CCCCCNC(C)=O)sc2c1.
What is the InChIKey of 6-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)hexanamide?
The InChIKey is RUZKRMKXWFQSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-3-23-13-8-9-14-15(11-13)24-17(19-14)20-16(22)7-5-4-6-10-18-12(2)21/h8-9,11H,3-7,10H2,1-2H3,(H,18,21)(H,19,20,22).
What are the key properties of 6-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)hexanamide?
6-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)hexanamide has a molecular weight of 349.46 g/mol, XLogP of 3.33, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)hexanamide is sourced from PubChem (CID 78799553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).